Impurity Pairs in Mixed Molecular Crystals

Abstract

In this paper we consider the energy levels and the polarization ratios of an impurity pair in mixed molecular crystals using the one‐particle Green's function method. The off‐diagonal matrix elements of the weighted density of states function for the first singlet exciton band in crystalline benzene have been obtained and applied for the splitting of the energy levels of an isotopic impurity pair. An extension of Rashba's formula for the polarization ratio of the impurity pair has been derived.